5-azanyl-1-[6-chloranyl-1,1,3,3-tetrakis(fluoranyl)-2-benzofuran-5-yl]pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-[6-chloranyl-1,1,3,3-tetrakis(fluoranyl)-2-benzofuran-5-yl]pyrazole-3-carbonitrile Openeye Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-isobenzofuran-5-yl)pyrazole-3-carbonitrile CAS Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-5-isobenzofuranyl)-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-yl)pyrazole-3-carbonitrile Traditional Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-phthalan-5-yl)pyrazole-3-carbonitrile Formula: C12H5ClF4N4O MolecularWeight: 332.640913

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1N3C(=CC(=N3)C#N)N)Cl)C(OC2(F)F)(F)F

Isomeric SMILES

C1=C2C(=CC(=C1N3C(=CC(=N3)C#N)N)Cl)C(OC2(F)F)(F)F

InChI

InChI=1S/C12H5ClF4N4O/c13-8-2-6-7(12(16,17)22-11(6,14)15)3-9(8)21-10(19)1-5(4-18)20-21/h1-3H,19H2